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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

BLYP/6-311G*

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 2983 24 A1 2959  
2 A1 2926 -4 A1 2930  
3 A1 1517 44 A1 1473  
4 A1 1468 7 A1 1461  
5 A1 1343 1 A1 1342  
6 A1 997 -137 A1 1134  
7 A1 867 -151 A1 1018  
8 A1 787 -121 A1 908  
9 A2 2954 -46 A2 3000  
10 A2 1212 -71 A2 1283  
11 A2 1129 -56 A2 1185  
12 A2 831 -155 A2 986  
13 B1 3032 25 B1 3007  
14 B1 2951 11 B1 2940  
15 B1 1165 -60 B1 1225  
16 B1 1113 -29 B1 1142  
17 B1 754 -82 B1 836  
18 B1 92 2 B1 90  
19 B2 2915 -51 B2 2966  
20 B2 1489 -19 B2 1508  
21 B2 1277 -181 B2 1458  
22 B2 1232 -131 B2 1363  
23 B2 961 -267 B2 1228  
24 B2 909 -27 B2 936  
The calculated vibrational frequencies were scaled by 0.9975

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.